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56524-88-0 | 1-Benzyl-2,4,6-triphenylpyridin-1-ium perchlorate
CAS No: 56524-88-0 Catalog No: AG01EWH5 MDL No:
Product Description
Catalog Number:
AG01EWH5
Chemical Name:
1-Benzyl-2,4,6-triphenylpyridin-1-ium perchlorate
CAS Number:
56524-88-0
Molecular Formula:
C30H24ClNO4
Molecular Weight:
497.9689
IUPAC Name:
1-benzyl-2,4,6-triphenylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C30H24N.ClHO4/c1-5-13-24(14-6-1)23-31-29(26-17-9-3-10-18-26)21-28(25-15-7-2-8-16-25)22-30(31)27-19-11-4-12-20-27;2-1(3,4)5/h1-22H,23H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
HTSPLODBMSOGQS-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.139g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.975g/mol
Monoisotopic Mass:
497.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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